S031-1315 Screening compound: 3-(cyclopentylamino)-N-[4-(methylsulfanyl)phenyl]-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide

S031-1315 Screening compound: 3-(cyclopentylamino)-N-[4-(methylsulfanyl)phenyl]-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide
S031-1315 Screening compound: 3-(cyclopentylamino)-N-[4-(methylsulfanyl)phenyl]-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S031-1315
3-(cyclopentylamino)-N-[4-(methylsulfanyl)phenyl]-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S031-1315

Molecular Formula

C23H28N6OS (C23 H28 N6 OS)

Compound Name

3-(cyclopentylamino)-N-[4-(methylsulfanyl)phenyl]-1H-spiro[pyrido[2,3-b]pyrazine-2,3'-pyrrolidine]-1'-carboxamide

IUPAC name

3-(cyclopentylamino)-N-[4-(methylsulfanyl)phenyl]-1H-spiro[pyrido[23-b]pyrazine-23'-pyrrolidine]-1'-carboxamide

SMILES

CSc(cc1)ccc1NC(N(CC1)CC11Nc(cccn2)c2N=C1NC1CCCC1)=O

InChI

InChI=1S/C23H28N6OS/c1-31-18-10-8-17(9-11-18)26-22(30)29-14-12-23(15-29)21(25-16-5-2-3-6-16)27-20-19(28-23)7-4-13-24-20/h4,7-11,13,16,28H,2-3,5-6,12,14-15H2,1H3,(H,26,30)(H,24,25,27)/t23-/m0/s1

InChI Key

FLMYJQQITJJISH-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27617231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.104

Distribution Coefficient, logD

2.941

Water Solubility, LogSw

-3.95

Polar Surface Area

67.520

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

S031-1315 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

TLR-8 ligands Library (674 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Female
  • Skin
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S031-1315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S031-1315?
Check Price and Availability of S031-1315, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S031-1315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S031-1315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S031-1315
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S031-1315 available by request